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2 - Quantum chemistry

from Part I - Areas of application

Published online by Cambridge University Press:  aN Invalid Date NaN

Alexander M. Dalzell ,
Sam McArdle ,
Mario Berta ,
Przemyslaw Bienias ,
Chi-Fang Chen ,
András Gilyén ,
Connor T. Hann ,
Michael J. Kastoryano ,
Emil T. Khabiboulline  and
Aleksander Kubica
...Show all authors
Alexander M. Dalzell
Affiliation:
AWS Center for Quantum Computing
Sam McArdle
Affiliation:
AWS Center for Quantum Computing
Mario Berta
Affiliation:
RWTH Aachen University
Przemyslaw Bienias
Affiliation:
AWS Center for Quantum Computing
Chi-Fang Chen
Affiliation:
University of California, Berkeley
András Gilyén
Affiliation:
HUN-REN Alfréd Rényi Institute of Mathematics
Connor T. Hann
Affiliation:
AWS Center for Quantum Computing
Michael J. Kastoryano
Affiliation:
University of Copenhagen
Emil T. Khabiboulline
Affiliation:
National Institute of Standards and Technology
Aleksander Kubica
Affiliation:
Yale University
Grant Salton
Affiliation:
Amazon Quantum Solutions Lab
Samson Wang
Affiliation:
Caltech
Fernando G. S. L. Brandão
Affiliation:
AWS Center for Quantum Computing
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Summary

This chapter covers applications of quantum computing in the area of quantum chemistry, where the goal is to predict the physical properties and behaviors of atoms, molecules, and materials. We discuss algorithms for simulating electrons in molecules and materials, including both static properties such as ground state energies and dynamic properties. We also discuss algorithms for simulating static and dynamic aspects of vibrations in molecules and materials.

Keywords

simulationquantum simulationmoleculesmaterialscomputational chemistryelectronic structurevibrational chemistryground state
Type
Chapter
Information
Quantum Algorithms
A Survey of Applications and End-to-end Complexities
 , pp. 29 - 50
Publisher: Cambridge University Press
Print publication year: 2025
Creative Commons
Creative Common License - CCCreative Common License - BYCreative Common License - NCCreative Common License - ND
This content is Open Access and distributed under the terms of the Creative Commons Attribution licence CC-BY-NC-ND 4.0 https://creativecommons.org/cclicenses/

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